Basic information
- Standard SMILES
OCc1ccoc1- InChIKey
STJIISDMSMJQQK-UHFFFAOYSA-N- Molecular formula
- C5H6O2
- Average molar mass
- 98.1 g/mol
- Monoisotopic mass
- 98.03677943
Names & identifiers
- Preferred name
- 3-Furanmethanol
- IUPAC
- furan-3-ylmethanol
- English name
- 3-Furanmethanol
- Molecular formula
- C5H6O2
- Molecular weight
- 98.1
Names & synonyms
3-FURANMETHANOL4412-91-3Furan-3-methanol3-Furylmethanol3-(Hydroxymethyl)furan3-Furfuryl alcohol3-Furancarbinol3-Furylcarbinolfurano-3-metanolfuranne-3-methanol6E4MK4DV6CEINECS 224-570-7
Show more names
3-Furanemethanol3-FURYL ALCOHOL
DTXSID70196045RefChem:502114DTXCID80118536224-570-7InChI=1/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3Hfuran-3-ylmethanol3-HYDROXYMETHYLFURANFuran-3-yl-methanol
Database identifiers
- CAS
4412-91-3- PubChem CID
- 20449
- DTXSID
DTXSID70196045- ChEMBL
CHEMBL440914- UNII
- 6E4MK4DV6C
- EC Number
- 224-570-7
- Nikkaji
- J205.791C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 33.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 54
Experimental & physicochemical properties
Kovats Retention Index
835
1649；1655；1684；1670；1679
Physicochemical properties
- Boiling point
- 79 · 79-80 °C17 mm Hg(lit.)
- Density
- 1.139 g/mL · 1.139 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.484(lit.)
- Flash point
- 101 °F · 101 °F
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 14.49 · 14.49±0.10(Predicted)
- form
- Liquid
- color
- Clear colorless to slightly yellow
- BRN
- 106456 · 106456
- InChI
- InChI=1S/C5H6O2/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
- InChIKey
- STJIISDMSMJQQK-UHFFFAOYSA-N
- SMILES
- O1C=CC(CO)=C1
- LogP
- 0.3 · 0.300
- CAS DataBase Reference
- 4412 · 4412-91-3(CAS DataBase Reference)
- FDA UNII
- 6 E4MK4DV6C · 6E4MK4DV6C
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi,F
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 16 · 16-26-36/37/39-36/37
- RIDADR
- 1987 · UN 1987 3/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 29321900 · 29321900
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.6%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1987 3/PG 3
- hs_code
- 29321900
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi,F
- safety_code
- 16-26-36/37/39-36/37
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses3-Furanmethanol can be used in methods to support gastrointestinal homeostasis.
General DescriptionFuran-3-methanol on oxidation with pyridinium chlorochromate yields furan-3-carboxaldehyde.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
常熟市海天医药原料有限公司13913622609
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
南京德豪斯医药科技有限公司025-52161033 15312098939 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
济南德信佳生物科技有限公司0531-82375886 13001715031 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
苏州班雅化学科技有限公司+86 (512) 6807-7352, +86 18915521230 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海肯恩化学科技有限公司13120367189;18621755571 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
Related reactions
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